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Compound Detail

CHEMBL1191631

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COc1cccc2sc3c(Nc4cccc(Br)c4)ncnc3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191631
Phase Preclinical
Structure Type MOL
InChI Key JOSIZTUFKBPVNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

386.3
MW (Da)
5.36
ALogP
5
HBA
1
HBD
47.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrN3OS
MW 386.27
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.49

Data from ChEMBL 36 via Core Engine